Vitas-M small molecule compound
N-(4-bromo-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK586487
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2C)Br)nnc1COc1ccc(cc1)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H20BrClN4O2S MW 507.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrClN4O2S/c1-3-10-27-19(12-29-17-7-5-16(23)6-8-17)25-26-21(27)30-13-20(28)24-18-9-4-15(22)11-14(18)2/h3-9,11H,1,10,12-13H2,2H3,(H,24,28)InChIKey
NAAHMMCAAOUPMZ-UHFFFAOYSA-NSynonyms
896595-48-52((4allyl5((4chlorophenoxy)methyl)4H124triazol3yl)thio)N(4bromo2methylphenyl)acetamide
896595485
CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl
InChI=1SC21H20BrClN4O2Sc13102719(1229177516(23)6817)252621(27)301320(28)24189415(22)1114(18)2h3911H1101213H22H3(H2428)
MFCD06593924
N(4bromo2methylphenyl)2((5((4chlorophenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide
N(4BROMO2METHYLPHENYL)2((5((4CHLOROPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4BROMO2METHYLPHENYL)2((5(4CHLOROPHENOXYMETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4BROMO2METHYLPHENYL)2(5((4CHLOROPHENOXY)METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009242823
ZINC09242823
ZINC9242823
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